Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation

Tai Boon Tan; Andrew J. Schultz; David A. Kofke

Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation

Department of Chemical and Biological Engineering

SUNY Buffalo

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Original language	English
Title of host publication	Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting
Publisher	AIChE
Pages	41
Number of pages	1
ISBN (Print)	9781618397409
State	Published - 2011
Event	Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting - Minneapolis, United States Duration: Oct 16 2011 → Oct 21 2011

Publication series

Name	Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting

Conference

Conference	Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting
Country/Territory	United States
City	Minneapolis
Period	10/16/11 → 10/21/11

Cite this

Tan, T. B., Schultz, A. J., & Kofke, D. A. (2011). Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation. In Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting (pp. 41). (Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting). AIChE.

Tan, Tai Boon ; Schultz, Andrew J. ; Kofke, David A. / Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation. Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting. AIChE, 2011. pp. 41 (Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting).

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title = "Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation",

author = "Tan, \{Tai Boon\} and Schultz, \{Andrew J.\} and Kofke, \{David A.\}",

year = "2011",

language = "English",

isbn = "9781618397409",

series = "Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting",

publisher = "AIChE",

pages = "41",

booktitle = "Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting",

note = "Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting ; Conference date: 16-10-2011 Through 21-10-2011",

}

Tan, TB, Schultz, AJ & Kofke, DA 2011, Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation. in Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting. Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting, AIChE, pp. 41, Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting, Minneapolis, United States, 10/16/11.

Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation. / Tan, Tai Boon; Schultz, Andrew J.; Kofke, David A.
Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting. AIChE, 2011. p. 41 (Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation

AU - Tan, Tai Boon

AU - Schultz, Andrew J.

AU - Kofke, David A.

PY - 2011

Y1 - 2011

UR - https://www.scopus.com/pages/publications/85054871390

M3 - Conference contribution

AN - SCOPUS:85054871390

SN - 9781618397409

T3 - Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting

SP - 41

BT - Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting

PB - AIChE

T2 - Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting

Y2 - 16 October 2011 through 21 October 2011

ER -

Tan TB, Schultz AJ , Kofke DA. Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation. In Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting. AIChE. 2011. p. 41. (Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting).

Efficient, precise and accurate methods of calculating solid-phase free energies by molecular simulation

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